5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one

C11H15Br2NO — CID 65011860

IUPAC5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one
SMILESCC(C)C(CBr)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H15Br2NO/c1-8(2)9(5-12)6-14-7-10(13)3-4-11(14)15/h3-4,7-9H,5-6H2,1-2H3
InChIKeyXGCBFTUUILHWTO-UHFFFAOYSA-N
MW337.06 g/mol
LogP3.28
Rot. Bonds4

About 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one

5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one (PubChem CID 65011860) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one
PubChem CID65011860
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one
SMILESCC(C)C(CBr)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H15Br2NO/c1-8(2)9(5-12)6-14-7-10(13)3-4-11(14)15/h3-4,7-9H,5-6H2,1-2H3
InChIKeyXGCBFTUUILHWTO-UHFFFAOYSA-N
XLogP3.28
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one (CID 65011860) is 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one is CC(C)C(CBr)Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one?
The InChIKey is XGCBFTUUILHWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-8(2)9(5-12)6-14-7-10(13)3-4-11(14)15/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one?
5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one has a molecular weight of 337.06 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one is sourced from PubChem (CID 65011860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).